| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2008 | 20 | No |
Popular Name: 1-methyl-3,5-di(2-thienylmethylidene)piperidin-4-one hydrochloride 1-methyl-3,5-di(2-thienylmethyli…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.39 | 7.06 | -6.86 | 0 | 2 | 0 | 20 | 301.436 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50602-1-O | Human Herpesvirus 1 (cluster #1 Of 5), Other | Other | 660 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50602 | Z50602 | Human Herpesvirus 1 | 660 | 0.43 | Functional ≤ 10μM |
